N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide

C17H17FN2O3 — CID 86910321

IUPACN-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCC#N)Cc2ccco2)cc1F
InChIInChI=1S/C17H17FN2O3/c1-22-16-6-5-13(10-15(16)18)11-17(21)20(8-3-7-19)12-14-4-2-9-23-14/h2,4-6,9-10H,3,8,11-12H2,1H3
InChIKeyHHMYJQCEPHIXFQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.91
Rot. Bonds7

About N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide

N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 86910321) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID86910321
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCC#N)Cc2ccco2)cc1F
InChIInChI=1S/C17H17FN2O3/c1-22-16-6-5-13(10-15(16)18)11-17(21)20(8-3-7-19)12-14-4-2-9-23-14/h2,4-6,9-10H,3,8,11-12H2,1H3
InChIKeyHHMYJQCEPHIXFQ-UHFFFAOYSA-N
XLogP2.91
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86859490
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 47008033
[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 18092409
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 51130616
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide (CID 86910321) is N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide is COc1ccc(CC(=O)N(CCC#N)Cc2ccco2)cc1F.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HHMYJQCEPHIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-22-16-6-5-13(10-15(16)18)11-17(21)20(8-3-7-19)12-14-4-2-9-23-14/h2,4-6,9-10H,3,8,11-12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 86910321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).